File | Date | Author | Commit |
---|---|---|---|
Fox | 2020-11-20 |
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[cd31ce] FOXGrid |
ObjCryst | 2020-04-20 |
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[d5e358] SpaceGroupExplorer: allow keeping or not the te... |
cctbx | 2018-10-18 |
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[a279c6] Update boost to 1.68 |
.gitignore | 2017-03-17 |
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[b25049] Update .gitignore |
ChangeLog.txt | 2017-06-28 |
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[01f120] Update Changelog for 2017.2 |
LICENSE.txt | 2016-11-06 |
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[dc0560] Rename and move README, LICENSE and ChangeLog f... |
README.rst | 2017-03-28 |
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[2d068c] STY: remove trailing blanks and tail empty lines. |
Fox, 'Free Objects for Crystallography' is a free, open-source program for the ab initio structure determination from powder diffraction.
The FOX program (for Linux, MacOS X and windows) was made for the ab initio crystal structure solution from diffraction data (mostly powder diffraction data).
The most interesting features for ab initio structure determination are:
So, if you:
Then Fox can help you.
FOX can also be used to display CIF (Crystallographic Information Files).
It can thus be used also for educational purposes, to show a 3D display of Crystal structures, and the associated powder pattern(s) (see how adding atoms, changing the lattice, or changing the spacegroup affects the powder pattern and the 3D structure).
In the latest version (2016.1), it is possible to query directly the Crystallography Open Database (http://www.crystallography.net) from FOX, and open the associated crystal structures.
If you would also like to choose your own criterion and algorithm to solve the structure, then it will be even better : FOX is built on a very customizable and expandable library (ObjCryst++), which allows you to evaluate your Crystal structure following a combination of criteria from diffraction data and interatomic distances. Other criteria for optimization and other algorithms can easily be added.
The main API documentation can be found at: https://vincefn.net/ObjCryst/classes.html
The main documentation for FOX can be found at: https://fox.vincefn.net
Follow the instructions at: http://fox.vincefn.net/Install
New to FOX ? See: http://fox.vincefn.net/Tutorials